SCHEMBL31361979

SCHEMBL31361979

CN(C)c1ccc(N)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TDP1 Q9NUW8 5/20 0.52
ALOX15 P16050 4/20 0.52
CYP3A4 P08684 4/20 0.52
TP53 P04637 2/20 0.52
MAPK1 P28482 2/20 0.52
TSHR P16473 5/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
THRB P10828 1/20 0.46
APAF1 O14727 1/20 0.46
TERT O14746 1/20 0.44
APP P05067 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
S100B P04271 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NR4A1 P22736 1/20 0.39
HDAC1 Q13547 1/20 0.37
ADRA2A P08913 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2313495 1.00 ALDH1A1 (0.52) ALDH1A1TDP1ALOX15CYP3A4TP53
Sulfuric Acid SCHEMBL7805762 0.87 KDM4E (0.50) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL29442599 0.80 S100B (0.61) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL11524424 0.80 ALDH1A1 (0.48) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL33872 0.80 S100B (0.61) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL2367265 0.80 APAF1 (0.56) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL23885550 0.78 ALDH1A1 (0.46) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL62465 0.78 ALOX15 (0.50) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL31676683 0.78 ALDH1A1 (0.46) ALDH1A1TDP1ALOX15CYP3A4TP53
SCHEMBL1745275 0.78 ALDH1A1 (0.46) ALDH1A1TDP1ALOX15CYP3A4TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120988455-A Anti-fatigue cable for communication transmission of offshore wind turbine and preparation method thereof 苏州科宝光电科技有限公司 2025-11-21 CN disclosed
CN-119409683-A Benzimidazole compound and application thereof 中国药科大学 2025-02-11 CN disclosed